1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

C20H26N4O — CID 119125840

IUPAC1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNCc3cccnc3)c2)C1
InChIInChI=1S/C20H26N4O/c21-20(25)19-7-3-9-24(15-19)14-17-5-1-4-16(10-17)11-23-13-18-6-2-8-22-12-18/h1-2,4-6,8,10,12,19,23H,3,7,9,11,13-15H2,(H2,21,25)
InChIKeyBLAXFLPWFSLPQF-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.07
Rot. Bonds7

About 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119125840) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119125840
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNCc3cccnc3)c2)C1
InChIInChI=1S/C20H26N4O/c21-20(25)19-7-3-9-24(15-19)14-17-5-1-4-16(10-17)11-23-13-18-6-2-8-22-12-18/h1-2,4-6,8,10,12,19,23H,3,7,9,11,13-15H2,(H2,21,25)
InChIKeyBLAXFLPWFSLPQF-UHFFFAOYSA-N
XLogP2.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 97160993
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136573921
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119125840) is 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(CNCc3cccnc3)c2)C1.
What is the InChIKey of 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BLAXFLPWFSLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-20(25)19-7-3-9-24(15-19)14-17-5-1-4-16(10-17)11-23-13-18-6-2-8-22-12-18/h1-2,4-6,8,10,12,19,23H,3,7,9,11,13-15H2,(H2,21,25).
What are the key properties of 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119125840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).